{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.305126 0.805126 0.5 ] [ 0.805126 0.694874 0.5 ] [ 0.194874 0.305126 0.5 ] [ 0.694874 0.194874 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.108629 0.608629 0.782028 ] [ 0.891371 0.391371 0.782028 ] [ 0.391371 0.108629 0.782028 ] [ 0.608629 0.891371 0.782028 ] [ 0.108629 0.608629 0.217972 ] [ 0.608629 0.891371 0.217972 ] [ 0.391371 0.108629 0.217972 ] [ 0.891371 0.391371 0.217972 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.654874 0.154874 0 ] [ 0.154874 0.345126 0 ] [ 0.845126 0.654874 0 ] [ 0.345126 0.845126 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Si" "Si" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.83247578 "source-unit" "angstrom" } "c" { "source-value" 5.62874598 "source-unit" "angstrom" } }